methyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate

C19H18N2O4S — CID 27718625

IUPACmethyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate
SMILESCCc1cccc(N2C(=O)/C(=C\c3cc(C(=O)OC)c(C)o3)NC2=S)c1
InChIInChI=1S/C19H18N2O4S/c1-4-12-6-5-7-13(8-12)21-17(22)16(20-19(21)26)10-14-9-15(11(2)25-14)18(23)24-3/h5-10H,4H2,1-3H3,(H,20,26)/b16-10+
InChIKeySZVGMXWIJLMDCB-MHWRWJLKSA-N
MW370.43 g/mol
LogP3.20
Rot. Bonds4

About methyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate

methyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate (PubChem CID 27718625) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is methyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate
PubChem CID27718625
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Namemethyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate
SMILESCCc1cccc(N2C(=O)/C(=C\c3cc(C(=O)OC)c(C)o3)NC2=S)c1
InChIInChI=1S/C19H18N2O4S/c1-4-12-6-5-7-13(8-12)21-17(22)16(20-19(21)26)10-14-9-15(11(2)25-14)18(23)24-3/h5-10H,4H2,1-3H3,(H,20,26)/b16-10+
InChIKeySZVGMXWIJLMDCB-MHWRWJLKSA-N
XLogP3.20
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze methyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

methyl 2-methyl-5-[(E)-(5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-3-carboxylate
CID 17472274
(5E)-3-(3-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 26492942
(5E)-5-[(4-bromophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 26492858
(5E)-5-[(3,4-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 26492959
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 26492856
5-[(2,3-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 72688892
(5E)-3-(3-ethylphenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 26492936
(5E)-3-(3-ethylphenyl)-2-sulfanylidene-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]imidazolidin-4-one
CID 46534735
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 60531301
(5E)-5-[[5-[(4-bromophenoxy)methyl]furan-2-yl]methylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 19546374
methyl 4-[(E)-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]benzoate
CID 2260280
(5E)-5-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 19546371

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate (CID 27718625) is methyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate is CCc1cccc(N2C(=O)/C(=C\c3cc(C(=O)OC)c(C)o3)NC2=S)c1.
What is the InChIKey of methyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is SZVGMXWIJLMDCB-MHWRWJLKSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-4-12-6-5-7-13(8-12)21-17(22)16(20-19(21)26)10-14-9-15(11(2)25-14)18(23)24-3/h5-10H,4H2,1-3H3,(H,20,26)/b16-10+.
What are the key properties of methyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 27718625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).